iterations/neb0_image02_iter248.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.458571449637 0.263810908632 0.490222943985} O1 1 1
14 {} {0.326763411047 0.239741402241 0.584703207342} Si1 2 1
14 {} {0.583773797167 0.348816960229 0.428092563955} Si2 3 1
8 {} {0.531508926596 0.491638638766 0.366291584404} O2 4 1
8 {} {0.312583263 0.356025690084 0.699701021332} O3 5 1
14 {} {0.244622445668 0.502998374826 0.73162056365} Si3 6 1
14 {} {0.560253130188 0.653626558818 0.356957632733} Si4 7 1
1 {} {0.344153453036 0.109807235821 0.654745037424} H1 8 1
1 {} {0.206052390379 0.239923859913 0.496987691164} H2 9 1
1 {} {0.642306375403 0.267977137296 0.317845713867} H3 10 1
1 {} {0.682771238183 0.377364040734 0.536137673569} H4 11 1
1 {} {0.0978952468801 0.487213164443 0.747632355921} H5 12 1
1 {} {0.311737116791 0.553865080711 0.854345156577} H6 13 1
1 {} {0.43558393508 0.720455608634 0.311175568202} H7 14 1
1 {} {0.672127778339 0.681111905818 0.262266954574} H8 15 1
1 {} {0.599160221906 0.707371725019 0.491560814274} H10 16 1
8 {} {0.25990604694 0.609202860608 0.605878180385} O 17 1
1 {} {0.340316061584 0.661566953326 0.59489328223} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end